4-(cyclohexylamino)-N'-[4-(4-hydroperoxy-1-hydroxycyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide

C24H32N4O4 — CID 137282167

IUPAC4-(cyclohexylamino)-N'-[4-(4-hydroperoxy-1-hydroxycyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc(C2(O)CCC(OO)CC2)cc1)c1c(NC2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C24H32N4O4/c25-22(21-20(12-15-26-23(21)29)27-17-4-2-1-3-5-17)28-18-8-6-16(7-9-18)24(30)13-10-19(32-31)11-14-24/h6-9,12,15,17,19,30-31H,1-5,10-11,13-14H2,(H2,25,28)(H2,26,27,29)
InChIKeyNJILAEGSLMISGG-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.78
Rot. Bonds6

About 4-(cyclohexylamino)-N'-[4-(4-hydroperoxy-1-hydroxycyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide

4-(cyclohexylamino)-N'-[4-(4-hydroperoxy-1-hydroxycyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 137282167) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N'-[4-(4-hydroperoxy-1-hydroxycyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N'-[4-(4-hydroperoxy-1-hydroxycyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID137282167
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name4-(cyclohexylamino)-N'-[4-(4-hydroperoxy-1-hydroxycyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc(C2(O)CCC(OO)CC2)cc1)c1c(NC2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C24H32N4O4/c25-22(21-20(12-15-26-23(21)29)27-17-4-2-1-3-5-17)28-18-8-6-16(7-9-18)24(30)13-10-19(32-31)11-14-24/h6-9,12,15,17,19,30-31H,1-5,10-11,13-14H2,(H2,25,28)(H2,26,27,29)
InChIKeyNJILAEGSLMISGG-UHFFFAOYSA-N
XLogP3.78
TPSA132.96 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 4-(cyclohexylamino)-N'-[4-(4-hydroperoxy-1-hydroxycyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide with MolForge

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Related Compounds

4-(cyclohexylamino)-N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
CID 137281911
4-(cyclopentylamino)-2-oxo-N'-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-1H-pyridine-3-carboximidamide
CID 137282058
acetonitrile;4-(cyclopentylamino)-2-oxo-N'-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-1H-pyridine-3-carboximidamide
CID 144712729
4-[[(3R)-oxan-3-yl]amino]-2-oxo-N'-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1H-pyridine-3-carboximidamide
CID 144713515
N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-4-(heptan-4-ylamino)-2-oxo-1H-pyridine-3-carboximidamide
CID 144713182
4-[4-[[amino-[4-(cyclohexylamino)-2-oxo-1H-pyridin-3-yl]methylidene]amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 137130629
4-(cyclohexylamino)-N'-[4-(3-hydroxyoxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
CID 137281943
4-[4-[[amino-[4-[[(1S,2S)-2-cyanocyclohexyl]amino]-2-oxo-1H-pyridin-3-yl]methylidene]amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 137281960
acetylene;tert-butyl formate;4-(cyclohexylamino)-N'-[4-(1-hydroxy-4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide;formonitrile
CID 144713015
acetylene;N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-4-(heptan-4-ylamino)-2-oxo-1H-pyridine-3-carboximidamide;formonitrile
CID 144713181
4-(cyclohexylamino)-N'-[4-(1-hydroxy-4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
CID 144713016

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N'-[4-(4-hydroperoxy-1-hydroxycyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-(cyclohexylamino)-N'-[4-(4-hydroperoxy-1-hydroxycyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide (CID 137282167) is 4-(cyclohexylamino)-N'-[4-(4-hydroperoxy-1-hydroxycyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-(cyclohexylamino)-N'-[4-(4-hydroperoxy-1-hydroxycyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-(cyclohexylamino)-N'-[4-(4-hydroperoxy-1-hydroxycyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide is N/C(=N\c1ccc(C2(O)CCC(OO)CC2)cc1)c1c(NC2CCCCC2)cc[nH]c1=O.
What is the InChIKey of 4-(cyclohexylamino)-N'-[4-(4-hydroperoxy-1-hydroxycyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is NJILAEGSLMISGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c25-22(21-20(12-15-26-23(21)29)27-17-4-2-1-3-5-17)28-18-8-6-16(7-9-18)24(30)13-10-19(32-31)11-14-24/h6-9,12,15,17,19,30-31H,1-5,10-11,13-14H2,(H2,25,28)(H2,26,27,29).
What are the key properties of 4-(cyclohexylamino)-N'-[4-(4-hydroperoxy-1-hydroxycyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
4-(cyclohexylamino)-N'-[4-(4-hydroperoxy-1-hydroxycyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 440.54 g/mol, XLogP of 3.78, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N'-[4-(4-hydroperoxy-1-hydroxycyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137282167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).